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143962-93-0 | Benzeneacetic acid, 4-hexadecyl-
CAS No: 143962-93-0 Catalog No: AG001INJ MDL No:
Product Description
Catalog Number:
AG001INJ
Chemical Name:
Benzeneacetic acid, 4-hexadecyl-
CAS Number:
143962-93-0
Molecular Formula:
C24H40O2
Molecular Weight:
360.5732
IUPAC Name:
2-(4-hexadecylphenyl)acetic acid
InChI:
InChI=1S/C24H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-19-23(20-18-22)21-24(25)26/h17-20H,2-16,21H2,1H3,(H,25,26)
InChI Key:
AICQUSQSHZGRAD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCc1ccc(cc1)CC(=O)O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.303g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
360.582g/mol
Monoisotopic Mass:
360.303g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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